2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine

C12H21NO — CID 103277917

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine
SMILESCC1=CC(C)CC(C2OCCC2N)C1
InChIInChI=1S/C12H21NO/c1-8-5-9(2)7-10(6-8)12-11(13)3-4-14-12/h5,8,10-12H,3-4,6-7,13H2,1-2H3
InChIKeyGWTRLIZBPAZXQN-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.10
Rot. Bonds1

About 2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine

2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine (PubChem CID 103277917) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine
PubChem CID103277917
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine
SMILESCC1=CC(C)CC(C2OCCC2N)C1
InChIInChI=1S/C12H21NO/c1-8-5-9(2)7-10(6-8)12-11(13)3-4-14-12/h5,8,10-12H,3-4,6-7,13H2,1-2H3
InChIKeyGWTRLIZBPAZXQN-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine (CID 103277917) is 2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine is CC1=CC(C)CC(C2OCCC2N)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine?
The InChIKey is GWTRLIZBPAZXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8-5-9(2)7-10(6-8)12-11(13)3-4-14-12/h5,8,10-12H,3-4,6-7,13H2,1-2H3.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine?
2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohex-3-en-1-yl)oxolan-3-amine is sourced from PubChem (CID 103277917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).